Vitas-M small molecule compound
7-[(4-tert-butylbenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL461198
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H41NO5 MW 531.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO5/c1-22-27-13-12-26(38-21-23-8-10-24(11-9-23)32(2,3)4)19-29(27)39-31(36)28(22)14-15-30(35)34-18-17-33(37)16-6-5-7-25(33)20-34/h8-13,19,25,37H,5-7,14-18,20-21H2,1-4H3InChIKey
UDAKLXKUDGRWLU-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)7((4tertbutylphenyl)methoxy)4methylchromen2one
7((4(tertbutyl)benzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
7((4tertbutylbenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(C)(C)C)CCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC33H41NO5c12227131226(38212381024(11923)32(23)4)1929(27)3931(36)28(22)141530(35)34181733(37)1665725(33)2034h813192537H5714182021H214H3
MFCD10040856
ZINC000002109885
ZINC000011867173
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